(E)-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynoic acid

Systemtic Name: (E)-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynoic acid Openeye Name: (E)-5-[3-(p-tolylsulfonylamino)phenyl]pent-2-en-4-ynoic acid CAS Name: (E)-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynoic acid IUPAC Name: (E)-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynoic acid Traditional Name: (E)-5-[3-(tosylamino)phenyl]pent-2-en-4-ynoic acid Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#CC=CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#C/C=C/C(=O)O

InChI

InChI=1S/C18H15NO4S/c1-14-9-11-17(12-10-14)24(22,23)19-16-7-4-6-15(13-16)5-2-3-8-18(20)21/h3-4,6-13,19H,1H3,(H,20,21)/b8-3+